USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 CYS SG : rot -76:sc= 0.328 USER MOD Set 1.2: A 54 SER OG : rot 175:sc= 1.02 USER MOD Set 2.1: A 43 THR OG1 : rot 84:sc= 0.363 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.214 K(o=0.58,f=-1.4) USER MOD Set 3.1: A 41 ASN : amide:sc= -0.166 X(o=-0.18,f=-0.046) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= -0.0172 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.779 K(o=1.4,f=-4) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.582 K(o=1.4,f=-2.3!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0346 F(o=-0.75,f=-0.035) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.0409 X(o=0.041,f=-0.33) USER MOD Single : A 17 HIS : no HE2:sc= 0.465 K(o=0.47,f=-3.6!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.17 K(o=1.2,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0.381 (180deg=0.367) USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 0.348 (180deg=-0.0562) USER MOD Single : A 47 TYR OH : rot 130:sc= 0.227 USER MOD Single : A 53 GLN : amide:sc= 0.881 K(o=0.88,f=-0.4) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.675 F(o=-3.9!,f=-0.67) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 72:sc= 0.657 USER MOD Single : A 64 MET CE :methyl 178:sc= -0.329 (180deg=-0.383) USER MOD Single : A 66 TYR OH : rot -167:sc= 0.733 USER MOD Single : A 71 ASN : amide:sc= -0.742 X(o=-0.74,f=-0.87) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -171:sc= -0.0739 (180deg=-0.173) USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 1.02 (180deg=-0.143) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= 0.0769 (180deg=0.0113) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.183 -0.230 1.391 1.00 0.00 N ATOM 2 CA ALA A 1 1.017 -0.249 -0.062 1.00 0.00 C ATOM 3 C ALA A 1 1.778 -1.459 -0.589 1.00 0.00 C ATOM 4 O ALA A 1 2.908 -1.305 -1.048 1.00 0.00 O ATOM 5 CB ALA A 1 1.500 1.082 -0.663 1.00 0.00 C ATOM 0 H1 ALA A 1 0.675 0.586 1.788 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.799 -1.107 1.796 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.194 -0.155 1.624 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.029 -0.344 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.373 1.060 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.916 1.903 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.553 1.228 -0.424 1.00 0.00 H new ATOM 13 N GLU A 2 1.261 -2.666 -0.360 1.00 0.00 N ATOM 14 CA GLU A 2 1.878 -3.898 -0.819 1.00 0.00 C ATOM 15 C GLU A 2 0.773 -4.942 -0.989 1.00 0.00 C ATOM 16 O GLU A 2 -0.126 -5.023 -0.145 1.00 0.00 O ATOM 17 CB GLU A 2 2.927 -4.338 0.226 1.00 0.00 C ATOM 18 CG GLU A 2 3.639 -5.663 -0.086 1.00 0.00 C ATOM 19 CD GLU A 2 4.601 -6.098 1.033 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.779 -5.660 1.002 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.205 -6.962 1.847 1.00 0.00 O ATOM 0 H GLU A 2 0.393 -2.811 0.155 1.00 0.00 H new ATOM 0 HA GLU A 2 2.386 -3.769 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.677 -3.553 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.437 -4.426 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.894 -6.443 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.195 -5.561 -1.018 1.00 0.00 H new ATOM 28 N HIS A 3 0.912 -5.802 -1.999 1.00 0.00 N ATOM 29 CA HIS A 3 0.160 -7.031 -2.187 1.00 0.00 C ATOM 30 C HIS A 3 1.132 -8.110 -2.677 1.00 0.00 C ATOM 31 O HIS A 3 2.185 -7.802 -3.235 1.00 0.00 O ATOM 32 CB HIS A 3 -0.945 -6.837 -3.240 1.00 0.00 C ATOM 33 CG HIS A 3 -2.027 -5.846 -2.886 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.342 -4.712 -3.583 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 -2.914 -5.924 -1.835 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 -3.442 -4.103 -2.967 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 -3.727 -4.857 -1.899 1.00 0.00 N flip ATOM 0 H HIS A 3 1.590 -5.646 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.307 -7.319 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.479 -6.519 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.412 -7.803 -3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.949 -6.706 -1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.955 -3.208 -3.288 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.463 -4.649 -1.224 1.00 0.00 H new ATOM 45 N TRP A 4 0.750 -9.382 -2.556 1.00 0.00 N ATOM 46 CA TRP A 4 1.486 -10.511 -3.107 1.00 0.00 C ATOM 47 C TRP A 4 0.539 -11.230 -4.060 1.00 0.00 C ATOM 48 O TRP A 4 -0.558 -11.614 -3.649 1.00 0.00 O ATOM 49 CB TRP A 4 1.949 -11.444 -1.979 1.00 0.00 C ATOM 50 CG TRP A 4 3.040 -10.932 -1.081 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.910 -9.964 -0.146 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.423 -11.391 -0.975 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.101 -9.782 0.525 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.068 -10.664 0.074 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.190 -12.366 -1.651 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.414 -10.892 0.416 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.533 -12.605 -1.307 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.148 -11.867 -0.282 1.00 0.00 C ATOM 0 H TRP A 4 -0.098 -9.658 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 4 2.380 -10.181 -3.636 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.084 -11.684 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.289 -12.377 -2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.002 -9.412 0.048 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.250 -9.088 1.258 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.737 -12.939 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.879 -10.323 1.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.095 -13.361 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.183 -12.048 -0.031 1.00 0.00 H new ATOM 69 N ILE A 5 0.934 -11.400 -5.319 1.00 0.00 N ATOM 70 CA ILE A 5 0.125 -11.994 -6.375 1.00 0.00 C ATOM 71 C ILE A 5 0.928 -13.182 -6.911 1.00 0.00 C ATOM 72 O ILE A 5 1.971 -13.008 -7.540 1.00 0.00 O ATOM 73 CB ILE A 5 -0.209 -10.967 -7.488 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.751 -9.596 -7.020 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.179 -11.608 -8.496 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.009 -9.581 -6.157 1.00 0.00 C ATOM 0 H ILE A 5 1.859 -11.117 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.841 -12.322 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 5 0.750 -10.726 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.042 -9.096 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.947 -8.994 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.416 -10.889 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.714 -12.488 -8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.095 -11.901 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.267 -8.552 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.832 -10.039 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.828 -10.142 -5.240 1.00 0.00 H new ATOM 88 N ASP A 6 0.479 -14.388 -6.609 1.00 0.00 N ATOM 89 CA ASP A 6 0.960 -15.622 -7.206 1.00 0.00 C ATOM 90 C ASP A 6 0.501 -15.639 -8.666 1.00 0.00 C ATOM 91 O ASP A 6 -0.699 -15.728 -8.921 1.00 0.00 O ATOM 92 CB ASP A 6 0.359 -16.784 -6.405 1.00 0.00 C ATOM 93 CG ASP A 6 0.829 -18.164 -6.846 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.043 -18.404 -6.987 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.008 -19.097 -6.908 1.00 0.00 O ATOM 0 H ASP A 6 -0.256 -14.540 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 6 2.046 -15.708 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.606 -16.649 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.727 -16.741 -6.486 1.00 0.00 H new ATOM 100 N VAL A 7 1.424 -15.537 -9.625 1.00 0.00 N ATOM 101 CA VAL A 7 1.108 -15.532 -11.061 1.00 0.00 C ATOM 102 C VAL A 7 1.208 -16.938 -11.670 1.00 0.00 C ATOM 103 O VAL A 7 1.086 -17.127 -12.886 1.00 0.00 O ATOM 104 CB VAL A 7 1.966 -14.484 -11.800 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.732 -13.079 -11.229 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.472 -14.786 -11.778 1.00 0.00 C ATOM 0 H VAL A 7 2.421 -15.455 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 7 0.067 -15.233 -11.187 1.00 0.00 H new ATOM 0 HB VAL A 7 1.640 -14.532 -12.839 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.349 -12.360 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.681 -12.811 -11.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.999 -13.067 -10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.008 -14.005 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.821 -14.819 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.657 -15.749 -12.255 1.00 0.00 H new ATOM 116 N ARG A 8 1.512 -17.921 -10.826 1.00 0.00 N ATOM 117 CA ARG A 8 1.615 -19.346 -11.117 1.00 0.00 C ATOM 118 C ARG A 8 0.263 -19.899 -11.574 1.00 0.00 C ATOM 119 O ARG A 8 -0.783 -19.294 -11.342 1.00 0.00 O ATOM 120 CB ARG A 8 2.043 -19.979 -9.791 1.00 0.00 C ATOM 121 CG ARG A 8 2.500 -21.440 -9.773 1.00 0.00 C ATOM 122 CD ARG A 8 3.020 -21.867 -8.383 1.00 0.00 C ATOM 123 NE ARG A 8 2.383 -21.174 -7.248 1.00 0.00 N ATOM 124 CZ ARG A 8 2.099 -21.667 -6.045 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.384 -22.933 -5.744 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.542 -20.866 -5.147 1.00 0.00 N ATOM 0 H ARG A 8 1.708 -17.725 -9.844 1.00 0.00 H new ATOM 0 HA ARG A 8 2.321 -19.558 -11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.856 -19.376 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.206 -19.889 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.669 -22.083 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.287 -21.583 -10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.869 -22.940 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.095 -21.691 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 8 2.129 -20.198 -7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.825 -23.536 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.162 -23.300 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.340 -19.895 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.315 -21.221 -4.218 1.00 0.00 H new ATOM 140 N VAL A 9 0.265 -21.081 -12.191 1.00 0.00 N ATOM 141 CA VAL A 9 -0.977 -21.804 -12.465 1.00 0.00 C ATOM 142 C VAL A 9 -1.732 -22.077 -11.147 1.00 0.00 C ATOM 143 O VAL A 9 -1.089 -22.398 -10.142 1.00 0.00 O ATOM 144 CB VAL A 9 -0.693 -23.090 -13.268 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.163 -22.722 -14.662 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.300 -24.039 -12.573 1.00 0.00 C ATOM 0 H VAL A 9 1.109 -21.557 -12.509 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.626 -21.187 -13.087 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.639 -23.626 -13.344 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.037 -23.632 -15.227 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.907 -22.124 -15.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.758 -22.148 -14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.454 -24.922 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.252 -23.527 -12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.101 -24.340 -11.605 1.00 0.00 H new ATOM 156 N PRO A 10 -3.076 -21.991 -11.129 1.00 0.00 N ATOM 157 CA PRO A 10 -3.864 -22.044 -9.897 1.00 0.00 C ATOM 158 C PRO A 10 -3.826 -23.433 -9.242 1.00 0.00 C ATOM 159 O PRO A 10 -4.097 -23.581 -8.052 1.00 0.00 O ATOM 160 CB PRO A 10 -5.284 -21.639 -10.313 1.00 0.00 C ATOM 161 CG PRO A 10 -5.363 -22.039 -11.785 1.00 0.00 C ATOM 162 CD PRO A 10 -3.941 -21.792 -12.282 1.00 0.00 C ATOM 0 HA PRO A 10 -3.462 -21.375 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.037 -22.155 -9.718 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.450 -20.570 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.658 -23.082 -11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.091 -21.437 -12.329 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.683 -22.480 -13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.836 -20.783 -12.680 1.00 0.00 H new ATOM 170 N GLU A 11 -3.463 -24.469 -9.992 1.00 0.00 N ATOM 171 CA GLU A 11 -3.344 -25.821 -9.478 1.00 0.00 C ATOM 172 C GLU A 11 -2.331 -25.947 -8.363 1.00 0.00 C ATOM 173 O GLU A 11 -2.548 -26.660 -7.384 1.00 0.00 O ATOM 174 CB GLU A 11 -2.998 -26.763 -10.649 1.00 0.00 C ATOM 175 CG GLU A 11 -4.282 -27.590 -10.760 1.00 0.00 C ATOM 176 CD GLU A 11 -4.510 -28.473 -11.980 1.00 0.00 C ATOM 177 OE1 GLU A 11 -3.517 -28.962 -12.555 1.00 0.00 O ATOM 178 OE2 GLU A 11 -5.708 -28.644 -12.292 1.00 0.00 O ATOM 0 H GLU A 11 -3.242 -24.388 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.300 -26.100 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.781 -26.216 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.127 -27.383 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.333 -28.231 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.121 -26.897 -10.698 1.00 0.00 H new ATOM 185 N GLN A 12 -1.222 -25.232 -8.502 1.00 0.00 N ATOM 186 CA GLN A 12 -0.143 -25.319 -7.543 1.00 0.00 C ATOM 187 C GLN A 12 -0.428 -24.426 -6.336 1.00 0.00 C ATOM 188 O GLN A 12 0.010 -24.717 -5.225 1.00 0.00 O ATOM 189 CB GLN A 12 1.149 -24.928 -8.243 1.00 0.00 C ATOM 190 CG GLN A 12 1.591 -25.955 -9.294 1.00 0.00 C ATOM 191 CD GLN A 12 2.925 -25.554 -9.916 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.808 -25.033 -9.246 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.111 -25.784 -11.203 1.00 0.00 N ATOM 0 H GLN A 12 -1.052 -24.586 -9.273 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.049 -26.337 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.018 -23.958 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.938 -24.812 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.681 -26.938 -8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.832 -26.036 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.372 -26.218 -11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.994 -25.527 -11.645 1.00 0.00 H new ATOM 202 N TYR A 13 -1.186 -23.347 -6.531 1.00 0.00 N ATOM 203 CA TYR A 13 -1.646 -22.503 -5.440 1.00 0.00 C ATOM 204 C TYR A 13 -2.442 -23.325 -4.418 1.00 0.00 C ATOM 205 O TYR A 13 -2.301 -23.119 -3.215 1.00 0.00 O ATOM 206 CB TYR A 13 -2.459 -21.361 -6.045 1.00 0.00 C ATOM 207 CG TYR A 13 -3.216 -20.533 -5.046 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.585 -19.529 -4.284 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.595 -20.760 -4.932 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.353 -18.728 -3.419 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.363 -19.966 -4.082 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.747 -18.944 -3.337 1.00 0.00 C ATOM 213 OH TYR A 13 -5.547 -18.177 -2.571 1.00 0.00 O ATOM 0 H TYR A 13 -1.496 -23.037 -7.452 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.805 -22.081 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.786 -20.709 -6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.166 -21.777 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.519 -19.376 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.062 -21.549 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.883 -17.958 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.426 -20.135 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.473 -18.487 -2.652 1.00 0.00 H new ATOM 223 N GLN A 14 -3.205 -24.318 -4.885 1.00 0.00 N ATOM 224 CA GLN A 14 -3.984 -25.220 -4.031 1.00 0.00 C ATOM 225 C GLN A 14 -3.134 -26.242 -3.294 1.00 0.00 C ATOM 226 O GLN A 14 -3.703 -27.087 -2.631 1.00 0.00 O ATOM 227 CB GLN A 14 -5.038 -25.967 -4.860 1.00 0.00 C ATOM 228 CG GLN A 14 -5.999 -24.916 -5.404 1.00 0.00 C ATOM 229 CD GLN A 14 -6.975 -25.478 -6.415 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.986 -26.076 -6.084 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.680 -25.223 -7.675 1.00 0.00 N ATOM 0 H GLN A 14 -3.300 -24.521 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.457 -24.583 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.569 -26.519 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.569 -26.694 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.555 -24.476 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.426 -24.112 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.824 -24.720 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.308 -25.529 -8.418 1.00 0.00 H new ATOM 240 N GLN A 15 -1.815 -26.228 -3.454 1.00 0.00 N ATOM 241 CA GLN A 15 -0.914 -27.184 -2.825 1.00 0.00 C ATOM 242 C GLN A 15 -0.102 -26.401 -1.803 1.00 0.00 C ATOM 243 O GLN A 15 0.087 -26.854 -0.676 1.00 0.00 O ATOM 244 CB GLN A 15 0.019 -27.824 -3.871 1.00 0.00 C ATOM 245 CG GLN A 15 -0.674 -28.240 -5.175 1.00 0.00 C ATOM 246 CD GLN A 15 -1.187 -29.648 -5.348 1.00 0.00 C ATOM 247 OE1 GLN A 15 -0.781 -30.622 -4.728 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.061 -29.721 -6.333 1.00 0.00 N ATOM 0 H GLN A 15 -1.335 -25.540 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.472 -27.994 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.816 -27.119 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.490 -28.702 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.520 -27.568 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.027 -28.050 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.361 -28.872 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.437 -30.626 -6.615 1.00 0.00 H new ATOM 257 N GLU A 16 0.349 -25.196 -2.172 1.00 0.00 N ATOM 258 CA GLU A 16 1.069 -24.309 -1.293 1.00 0.00 C ATOM 259 C GLU A 16 0.989 -22.891 -1.848 1.00 0.00 C ATOM 260 O GLU A 16 1.121 -22.700 -3.063 1.00 0.00 O ATOM 261 CB GLU A 16 2.519 -24.799 -1.233 1.00 0.00 C ATOM 262 CG GLU A 16 3.349 -24.125 -0.140 1.00 0.00 C ATOM 263 CD GLU A 16 4.665 -24.888 0.102 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.103 -25.671 -0.762 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.176 -24.797 1.242 1.00 0.00 O ATOM 0 H GLU A 16 0.214 -24.817 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 16 0.645 -24.303 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.523 -25.876 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.993 -24.623 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.568 -23.096 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.774 -24.083 0.785 1.00 0.00 H new ATOM 272 N HIS A 17 0.822 -21.896 -0.979 1.00 0.00 N ATOM 273 CA HIS A 17 0.966 -20.480 -1.302 1.00 0.00 C ATOM 274 C HIS A 17 1.391 -19.701 -0.066 1.00 0.00 C ATOM 275 O HIS A 17 1.292 -20.193 1.058 1.00 0.00 O ATOM 276 CB HIS A 17 -0.314 -19.922 -1.910 1.00 0.00 C ATOM 277 CG HIS A 17 -1.548 -20.091 -1.076 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.450 -21.109 -1.231 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.103 -19.180 -0.218 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.536 -20.807 -0.507 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.359 -19.659 0.167 1.00 0.00 N ATOM 0 H HIS A 17 0.576 -22.059 -0.003 1.00 0.00 H new ATOM 0 HA HIS A 17 1.748 -20.371 -2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.170 -18.859 -2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.478 -20.404 -2.874 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.319 -21.948 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.650 -18.254 0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.434 -21.406 -0.470 1.00 0.00 H new ATOM 289 N VAL A 18 1.901 -18.487 -0.268 1.00 0.00 N ATOM 290 CA VAL A 18 2.260 -17.579 0.805 1.00 0.00 C ATOM 291 C VAL A 18 0.980 -17.169 1.521 1.00 0.00 C ATOM 292 O VAL A 18 -0.015 -16.821 0.885 1.00 0.00 O ATOM 293 CB VAL A 18 2.988 -16.352 0.227 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.378 -15.353 1.326 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.267 -16.784 -0.502 1.00 0.00 C ATOM 0 H VAL A 18 2.077 -18.107 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 18 2.934 -18.062 1.512 1.00 0.00 H new ATOM 0 HB VAL A 18 2.297 -15.871 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.890 -14.501 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.480 -15.008 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.041 -15.839 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.770 -15.905 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.930 -17.293 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.010 -17.461 -1.317 1.00 0.00 H new ATOM 305 N GLN A 19 1.039 -17.194 2.850 1.00 0.00 N ATOM 306 CA GLN A 19 -0.045 -16.814 3.728 1.00 0.00 C ATOM 307 C GLN A 19 -0.466 -15.371 3.444 1.00 0.00 C ATOM 308 O GLN A 19 0.266 -14.441 3.781 1.00 0.00 O ATOM 309 CB GLN A 19 0.427 -16.994 5.181 1.00 0.00 C ATOM 310 CG GLN A 19 -0.764 -17.084 6.135 1.00 0.00 C ATOM 311 CD GLN A 19 -0.342 -17.053 7.600 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.737 -16.162 8.332 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.456 -18.002 8.073 1.00 0.00 N ATOM 0 H GLN A 19 1.874 -17.491 3.354 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.918 -17.444 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.032 -17.897 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.064 -16.157 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.446 -16.256 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.314 -18.004 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.784 -18.746 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.741 -17.987 9.052 1.00 0.00 H new ATOM 322 N GLY A 20 -1.638 -15.186 2.836 1.00 0.00 N ATOM 323 CA GLY A 20 -2.211 -13.864 2.621 1.00 0.00 C ATOM 324 C GLY A 20 -2.005 -13.343 1.204 1.00 0.00 C ATOM 325 O GLY A 20 -2.340 -12.188 0.946 1.00 0.00 O ATOM 0 H GLY A 20 -2.213 -15.949 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.279 -13.899 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.766 -13.163 3.327 1.00 0.00 H new ATOM 329 N ALA A 21 -1.435 -14.141 0.297 1.00 0.00 N ATOM 330 CA ALA A 21 -1.335 -13.790 -1.107 1.00 0.00 C ATOM 331 C ALA A 21 -2.652 -14.071 -1.833 1.00 0.00 C ATOM 332 O ALA A 21 -3.491 -14.844 -1.377 1.00 0.00 O ATOM 333 CB ALA A 21 -0.205 -14.606 -1.736 1.00 0.00 C ATOM 0 H ALA A 21 -1.031 -15.050 0.525 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.123 -12.725 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.118 -14.353 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.733 -14.379 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.424 -15.669 -1.635 1.00 0.00 H new ATOM 339 N ILE A 22 -2.769 -13.511 -3.031 1.00 0.00 N ATOM 340 CA ILE A 22 -3.818 -13.801 -3.998 1.00 0.00 C ATOM 341 C ILE A 22 -3.166 -14.712 -5.041 1.00 0.00 C ATOM 342 O ILE A 22 -1.967 -14.571 -5.284 1.00 0.00 O ATOM 343 CB ILE A 22 -4.323 -12.499 -4.685 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.177 -11.174 -3.877 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.762 -12.714 -5.197 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.417 -10.628 -3.178 1.00 0.00 C ATOM 0 H ILE A 22 -2.107 -12.813 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.680 -14.263 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.640 -12.332 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.406 -11.325 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.810 -10.405 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.117 -11.803 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.774 -13.533 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.414 -12.959 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.164 -9.704 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.193 -10.427 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.782 -11.362 -2.459 1.00 0.00 H new ATOM 358 N ASN A 23 -3.943 -15.549 -5.734 1.00 0.00 N ATOM 359 CA ASN A 23 -3.515 -16.156 -6.992 1.00 0.00 C ATOM 360 C ASN A 23 -4.347 -15.555 -8.096 1.00 0.00 C ATOM 361 O ASN A 23 -5.573 -15.466 -7.992 1.00 0.00 O ATOM 362 CB ASN A 23 -3.641 -17.685 -6.992 1.00 0.00 C ATOM 363 CG ASN A 23 -3.385 -18.292 -8.375 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.291 -18.408 -9.188 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.171 -18.694 -8.695 1.00 0.00 N ATOM 0 H ASN A 23 -4.880 -15.822 -5.439 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.455 -15.947 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.933 -18.105 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.639 -17.965 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.993 -19.098 -9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.409 -18.601 -8.023 1.00 0.00 H new ATOM 372 N ILE A 24 -3.653 -15.133 -9.139 1.00 0.00 N ATOM 373 CA ILE A 24 -4.244 -14.729 -10.387 1.00 0.00 C ATOM 374 C ILE A 24 -3.199 -15.163 -11.429 1.00 0.00 C ATOM 375 O ILE A 24 -2.129 -14.555 -11.473 1.00 0.00 O ATOM 376 CB ILE A 24 -4.478 -13.205 -10.390 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.154 -12.570 -9.155 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.220 -12.856 -11.690 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.252 -11.034 -9.213 1.00 0.00 C ATOM 0 H ILE A 24 -2.635 -15.063 -9.133 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.221 -15.172 -10.583 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.487 -12.754 -10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.157 -12.984 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.597 -12.855 -8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.403 -11.782 -11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.613 -13.150 -12.546 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.171 -13.388 -11.720 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.738 -10.666 -8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.251 -10.608 -9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.836 -10.739 -10.085 1.00 0.00 H new ATOM 391 N PRO A 25 -3.460 -16.186 -12.260 1.00 0.00 N ATOM 392 CA PRO A 25 -2.458 -16.702 -13.180 1.00 0.00 C ATOM 393 C PRO A 25 -2.052 -15.608 -14.165 1.00 0.00 C ATOM 394 O PRO A 25 -2.859 -14.741 -14.499 1.00 0.00 O ATOM 395 CB PRO A 25 -3.104 -17.914 -13.854 1.00 0.00 C ATOM 396 CG PRO A 25 -4.606 -17.636 -13.756 1.00 0.00 C ATOM 397 CD PRO A 25 -4.744 -16.837 -12.461 1.00 0.00 C ATOM 0 HA PRO A 25 -1.536 -17.006 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.783 -18.012 -14.891 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.836 -18.842 -13.348 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.965 -17.070 -14.616 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.183 -18.560 -13.719 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.547 -16.104 -12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.987 -17.490 -11.623 1.00 0.00 H new ATOM 405 N LEU A 26 -0.809 -15.658 -14.658 1.00 0.00 N ATOM 406 CA LEU A 26 -0.178 -14.533 -15.358 1.00 0.00 C ATOM 407 C LEU A 26 -1.059 -13.942 -16.451 1.00 0.00 C ATOM 408 O LEU A 26 -1.195 -12.729 -16.594 1.00 0.00 O ATOM 409 CB LEU A 26 1.172 -14.995 -15.941 1.00 0.00 C ATOM 410 CG LEU A 26 1.927 -13.910 -16.738 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.142 -12.655 -15.893 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.309 -14.431 -17.150 1.00 0.00 C ATOM 0 H LEU A 26 -0.211 -16.481 -14.583 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.022 -13.736 -14.631 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.808 -15.338 -15.125 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.999 -15.852 -16.592 1.00 0.00 H new ATOM 0 HG LEU A 26 1.323 -13.668 -17.613 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.676 -11.908 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.176 -12.253 -15.586 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.727 -12.908 -15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.836 -13.660 -17.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.882 -14.686 -16.259 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.193 -15.318 -17.773 1.00 0.00 H new ATOM 424 N LYS A 27 -1.698 -14.819 -17.210 1.00 0.00 N ATOM 425 CA LYS A 27 -2.489 -14.401 -18.338 1.00 0.00 C ATOM 426 C LYS A 27 -3.745 -13.620 -17.917 1.00 0.00 C ATOM 427 O LYS A 27 -4.190 -12.792 -18.701 1.00 0.00 O ATOM 428 CB LYS A 27 -2.737 -15.645 -19.172 1.00 0.00 C ATOM 429 CG LYS A 27 -4.068 -16.285 -18.848 1.00 0.00 C ATOM 430 CD LYS A 27 -4.189 -17.480 -19.778 1.00 0.00 C ATOM 431 CE LYS A 27 -5.663 -17.414 -20.104 1.00 0.00 C ATOM 432 NZ LYS A 27 -6.008 -18.291 -21.217 1.00 0.00 N ATOM 0 H LYS A 27 -1.679 -15.827 -17.057 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.966 -13.670 -18.955 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.707 -15.385 -20.230 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.937 -16.364 -18.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.109 -16.596 -17.804 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.888 -15.584 -19.004 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.562 -17.383 -20.664 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.912 -18.415 -19.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.243 -17.695 -19.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.936 -16.388 -20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.027 -18.220 -21.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.473 -18.006 -22.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.771 -19.273 -20.971 1.00 0.00 H new ATOM 446 N GLU A 28 -4.321 -13.893 -16.740 1.00 0.00 N ATOM 447 CA GLU A 28 -5.395 -13.089 -16.170 1.00 0.00 C ATOM 448 C GLU A 28 -4.812 -11.849 -15.513 1.00 0.00 C ATOM 449 O GLU A 28 -5.442 -10.803 -15.578 1.00 0.00 O ATOM 450 CB GLU A 28 -6.173 -13.884 -15.105 1.00 0.00 C ATOM 451 CG GLU A 28 -7.537 -14.332 -15.633 1.00 0.00 C ATOM 452 CD GLU A 28 -8.272 -15.162 -14.584 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.650 -14.546 -13.555 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.407 -16.384 -14.798 1.00 0.00 O ATOM 0 H GLU A 28 -4.049 -14.684 -16.157 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.073 -12.812 -16.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.593 -14.756 -14.803 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.309 -13.268 -14.216 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.135 -13.460 -15.899 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.406 -14.918 -16.543 1.00 0.00 H new ATOM 461 N VAL A 29 -3.644 -11.932 -14.863 1.00 0.00 N ATOM 462 CA VAL A 29 -3.079 -10.840 -14.065 1.00 0.00 C ATOM 463 C VAL A 29 -2.970 -9.564 -14.877 1.00 0.00 C ATOM 464 O VAL A 29 -3.258 -8.482 -14.380 1.00 0.00 O ATOM 465 CB VAL A 29 -1.719 -11.266 -13.448 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.442 -10.545 -13.902 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.779 -11.021 -11.951 1.00 0.00 C ATOM 0 H VAL A 29 -3.060 -12.768 -14.877 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.758 -10.625 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.624 -12.299 -13.782 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.417 -10.961 -13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.311 -10.679 -14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.525 -9.482 -13.677 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.833 -11.314 -11.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.960 -9.963 -11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.587 -11.610 -11.518 1.00 0.00 H new ATOM 477 N LYS A 30 -2.606 -9.705 -16.143 1.00 0.00 N ATOM 478 CA LYS A 30 -2.406 -8.600 -17.054 1.00 0.00 C ATOM 479 C LYS A 30 -3.683 -7.819 -17.352 1.00 0.00 C ATOM 480 O LYS A 30 -3.618 -6.777 -17.994 1.00 0.00 O ATOM 481 CB LYS A 30 -1.847 -9.214 -18.316 1.00 0.00 C ATOM 482 CG LYS A 30 -1.057 -8.185 -19.097 1.00 0.00 C ATOM 483 CD LYS A 30 -0.715 -8.890 -20.389 1.00 0.00 C ATOM 484 CE LYS A 30 0.376 -8.109 -21.094 1.00 0.00 C ATOM 485 NZ LYS A 30 0.102 -8.110 -22.538 1.00 0.00 N ATOM 0 H LYS A 30 -2.439 -10.616 -16.571 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.733 -7.867 -16.608 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.207 -10.059 -18.064 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.660 -9.602 -18.931 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.644 -7.284 -19.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.159 -7.879 -18.560 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.381 -9.908 -20.187 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.598 -8.964 -21.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.412 -7.087 -20.717 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.350 -8.557 -20.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.845 -7.576 -23.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.088 -9.089 -22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.821 -7.665 -22.717 1.00 0.00 H new ATOM 499 N GLU A 31 -4.821 -8.299 -16.887 1.00 0.00 N ATOM 500 CA GLU A 31 -6.074 -7.587 -16.949 1.00 0.00 C ATOM 501 C GLU A 31 -6.588 -7.365 -15.548 1.00 0.00 C ATOM 502 O GLU A 31 -6.917 -6.256 -15.135 1.00 0.00 O ATOM 503 CB GLU A 31 -7.059 -8.431 -17.768 1.00 0.00 C ATOM 504 CG GLU A 31 -7.448 -7.547 -18.943 1.00 0.00 C ATOM 505 CD GLU A 31 -8.423 -8.219 -19.901 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.429 -8.769 -19.398 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.149 -8.154 -21.120 1.00 0.00 O ATOM 0 H GLU A 31 -4.897 -9.216 -16.447 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.950 -6.614 -17.424 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.598 -9.359 -18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.931 -8.707 -17.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.895 -6.627 -18.565 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.549 -7.263 -19.490 1.00 0.00 H new ATOM 514 N ARG A 32 -6.608 -8.439 -14.780 1.00 0.00 N ATOM 515 CA ARG A 32 -7.301 -8.508 -13.527 1.00 0.00 C ATOM 516 C ARG A 32 -6.587 -7.731 -12.430 1.00 0.00 C ATOM 517 O ARG A 32 -7.235 -7.362 -11.450 1.00 0.00 O ATOM 518 CB ARG A 32 -7.425 -9.994 -13.239 1.00 0.00 C ATOM 519 CG ARG A 32 -8.491 -10.228 -12.195 1.00 0.00 C ATOM 520 CD ARG A 32 -8.847 -11.707 -12.170 1.00 0.00 C ATOM 521 NE ARG A 32 -9.268 -12.008 -10.812 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.292 -13.201 -10.227 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.990 -14.328 -10.866 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.669 -13.194 -8.955 1.00 0.00 N ATOM 0 H ARG A 32 -6.127 -9.304 -15.026 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.282 -8.035 -13.568 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.676 -10.531 -14.154 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.470 -10.387 -12.890 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.134 -9.911 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.375 -9.632 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.644 -11.926 -12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.990 -12.317 -12.454 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.579 -11.218 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.725 -14.301 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.024 -15.219 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.913 -12.314 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.715 -14.068 -8.432 1.00 0.00 H new ATOM 538 N ILE A 33 -5.286 -7.450 -12.577 1.00 0.00 N ATOM 539 CA ILE A 33 -4.592 -6.595 -11.630 1.00 0.00 C ATOM 540 C ILE A 33 -5.268 -5.226 -11.606 1.00 0.00 C ATOM 541 O ILE A 33 -5.403 -4.664 -10.533 1.00 0.00 O ATOM 542 CB ILE A 33 -3.072 -6.518 -11.912 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.295 -5.979 -10.692 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.743 -5.659 -13.146 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.178 -7.010 -9.563 1.00 0.00 C ATOM 0 H ILE A 33 -4.705 -7.802 -13.338 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.667 -7.030 -10.634 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.756 -7.541 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.296 -5.676 -11.007 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.794 -5.087 -10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.664 -5.639 -13.298 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.225 -6.086 -14.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.106 -4.643 -12.990 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.622 -6.577 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.175 -7.294 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.654 -7.893 -9.929 1.00 0.00 H new ATOM 557 N ALA A 34 -5.776 -4.722 -12.740 1.00 0.00 N ATOM 558 CA ALA A 34 -6.442 -3.426 -12.787 1.00 0.00 C ATOM 559 C ALA A 34 -7.679 -3.382 -11.885 1.00 0.00 C ATOM 560 O ALA A 34 -8.027 -2.310 -11.399 1.00 0.00 O ATOM 561 CB ALA A 34 -6.809 -3.086 -14.237 1.00 0.00 C ATOM 0 H ALA A 34 -5.734 -5.201 -13.639 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.749 -2.676 -12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.307 -2.117 -14.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.903 -3.049 -14.842 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.478 -3.850 -14.632 1.00 0.00 H new ATOM 567 N THR A 35 -8.328 -4.524 -11.654 1.00 0.00 N ATOM 568 CA THR A 35 -9.496 -4.635 -10.799 1.00 0.00 C ATOM 569 C THR A 35 -9.071 -4.853 -9.340 1.00 0.00 C ATOM 570 O THR A 35 -9.746 -4.385 -8.427 1.00 0.00 O ATOM 571 CB THR A 35 -10.352 -5.819 -11.299 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.340 -5.901 -12.715 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.806 -5.725 -10.840 1.00 0.00 C ATOM 0 H THR A 35 -8.045 -5.412 -12.068 1.00 0.00 H new ATOM 0 HA THR A 35 -10.079 -3.715 -10.841 1.00 0.00 H new ATOM 0 HB THR A 35 -9.901 -6.712 -10.866 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.888 -6.660 -13.003 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.363 -6.582 -11.219 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.844 -5.720 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.250 -4.806 -11.222 1.00 0.00 H new ATOM 581 N ALA A 36 -7.982 -5.596 -9.110 1.00 0.00 N ATOM 582 CA ALA A 36 -7.539 -5.967 -7.768 1.00 0.00 C ATOM 583 C ALA A 36 -6.690 -4.871 -7.107 1.00 0.00 C ATOM 584 O ALA A 36 -6.693 -4.751 -5.886 1.00 0.00 O ATOM 585 CB ALA A 36 -6.741 -7.275 -7.863 1.00 0.00 C ATOM 0 H ALA A 36 -7.384 -5.956 -9.854 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.419 -6.099 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.402 -7.567 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.376 -8.059 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.878 -7.128 -8.512 1.00 0.00 H new ATOM 591 N VAL A 37 -5.956 -4.103 -7.911 1.00 0.00 N ATOM 592 CA VAL A 37 -4.940 -3.146 -7.501 1.00 0.00 C ATOM 593 C VAL A 37 -4.996 -1.962 -8.490 1.00 0.00 C ATOM 594 O VAL A 37 -4.092 -1.778 -9.301 1.00 0.00 O ATOM 595 CB VAL A 37 -3.545 -3.818 -7.453 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.567 -2.904 -6.706 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.515 -5.207 -6.784 1.00 0.00 C ATOM 0 H VAL A 37 -6.064 -4.137 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.128 -2.779 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.261 -3.969 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.584 -3.374 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.493 -1.948 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.927 -2.739 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.497 -5.596 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.856 -5.121 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.171 -5.887 -7.328 1.00 0.00 H new ATOM 607 N PRO A 38 -6.088 -1.178 -8.515 1.00 0.00 N ATOM 608 CA PRO A 38 -6.203 -0.059 -9.446 1.00 0.00 C ATOM 609 C PRO A 38 -5.153 1.031 -9.167 1.00 0.00 C ATOM 610 O PRO A 38 -4.767 1.757 -10.087 1.00 0.00 O ATOM 611 CB PRO A 38 -7.636 0.460 -9.291 1.00 0.00 C ATOM 612 CG PRO A 38 -8.070 -0.021 -7.905 1.00 0.00 C ATOM 613 CD PRO A 38 -7.277 -1.307 -7.690 1.00 0.00 C ATOM 0 HA PRO A 38 -6.009 -0.372 -10.472 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.675 1.547 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.288 0.065 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.844 0.719 -7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.144 -0.204 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.013 -1.433 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.861 -2.180 -7.979 1.00 0.00 H new ATOM 621 N ASP A 39 -4.693 1.142 -7.913 1.00 0.00 N ATOM 622 CA ASP A 39 -3.594 2.012 -7.506 1.00 0.00 C ATOM 623 C ASP A 39 -2.267 1.423 -7.982 1.00 0.00 C ATOM 624 O ASP A 39 -1.710 0.506 -7.379 1.00 0.00 O ATOM 625 CB ASP A 39 -3.545 2.198 -5.982 1.00 0.00 C ATOM 626 CG ASP A 39 -2.440 3.188 -5.557 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.644 3.620 -6.428 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.448 3.577 -4.370 1.00 0.00 O ATOM 0 H ASP A 39 -5.090 0.612 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.761 2.988 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.511 2.559 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.372 1.234 -5.504 1.00 0.00 H new ATOM 633 N LYS A 40 -1.748 1.968 -9.080 1.00 0.00 N ATOM 634 CA LYS A 40 -0.482 1.535 -9.665 1.00 0.00 C ATOM 635 C LYS A 40 0.747 1.679 -8.782 1.00 0.00 C ATOM 636 O LYS A 40 1.779 1.100 -9.137 1.00 0.00 O ATOM 637 CB LYS A 40 -0.276 2.290 -10.975 1.00 0.00 C ATOM 638 CG LYS A 40 -1.379 1.803 -11.903 1.00 0.00 C ATOM 639 CD LYS A 40 -1.022 1.936 -13.369 1.00 0.00 C ATOM 640 CE LYS A 40 -2.256 1.328 -14.020 1.00 0.00 C ATOM 641 NZ LYS A 40 -2.220 1.430 -15.488 1.00 0.00 N ATOM 0 H LYS A 40 -2.197 2.727 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.575 0.459 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.340 3.367 -10.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.709 2.086 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.597 0.758 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.289 2.368 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.868 2.974 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.111 1.394 -13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.337 0.280 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.147 1.831 -13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.028 0.915 -15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.272 2.430 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.334 1.017 -15.843 1.00 0.00 H new ATOM 655 N ASN A 41 0.658 2.458 -7.708 1.00 0.00 N ATOM 656 CA ASN A 41 1.758 2.695 -6.791 1.00 0.00 C ATOM 657 C ASN A 41 1.813 1.628 -5.694 1.00 0.00 C ATOM 658 O ASN A 41 2.746 1.627 -4.892 1.00 0.00 O ATOM 659 CB ASN A 41 1.591 4.104 -6.206 1.00 0.00 C ATOM 660 CG ASN A 41 2.859 4.596 -5.530 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.714 5.187 -6.183 1.00 0.00 O ATOM 662 ND2 ASN A 41 3.000 4.371 -4.236 1.00 0.00 N ATOM 0 H ASN A 41 -0.198 2.949 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 41 2.707 2.629 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.313 4.796 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.774 4.102 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.838 4.692 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.271 3.877 -3.722 1.00 0.00 H new ATOM 669 N ASP A 42 0.835 0.724 -5.606 1.00 0.00 N ATOM 670 CA ASP A 42 0.901 -0.354 -4.623 1.00 0.00 C ATOM 671 C ASP A 42 2.055 -1.298 -4.951 1.00 0.00 C ATOM 672 O ASP A 42 2.294 -1.581 -6.130 1.00 0.00 O ATOM 673 CB ASP A 42 -0.410 -1.138 -4.542 1.00 0.00 C ATOM 674 CG ASP A 42 -0.617 -1.559 -3.089 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.820 -0.661 -2.236 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.366 -2.735 -2.761 1.00 0.00 O ATOM 0 H ASP A 42 0.002 0.717 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 42 1.072 0.104 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.243 -0.524 -4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.372 -2.013 -5.191 1.00 0.00 H new ATOM 681 N THR A 43 2.782 -1.794 -3.943 1.00 0.00 N ATOM 682 CA THR A 43 3.859 -2.736 -4.188 1.00 0.00 C ATOM 683 C THR A 43 3.301 -4.107 -4.592 1.00 0.00 C ATOM 684 O THR A 43 3.045 -4.945 -3.730 1.00 0.00 O ATOM 685 CB THR A 43 4.886 -2.793 -3.045 1.00 0.00 C ATOM 686 OG1 THR A 43 5.410 -1.515 -2.727 1.00 0.00 O ATOM 687 CG2 THR A 43 6.099 -3.648 -3.428 1.00 0.00 C ATOM 0 H THR A 43 2.639 -1.556 -2.961 1.00 0.00 H new ATOM 0 HA THR A 43 4.433 -2.367 -5.038 1.00 0.00 H new ATOM 0 HB THR A 43 4.343 -3.212 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.800 -1.055 -2.113 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.806 -3.668 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.772 -4.664 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.582 -3.221 -4.307 1.00 0.00 H new ATOM 695 N VAL A 44 3.134 -4.364 -5.889 1.00 0.00 N ATOM 696 CA VAL A 44 2.695 -5.668 -6.362 1.00 0.00 C ATOM 697 C VAL A 44 3.916 -6.583 -6.367 1.00 0.00 C ATOM 698 O VAL A 44 4.756 -6.502 -7.265 1.00 0.00 O ATOM 699 CB VAL A 44 2.024 -5.577 -7.745 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.419 -6.940 -8.103 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.885 -4.552 -7.781 1.00 0.00 C ATOM 0 H VAL A 44 3.298 -3.682 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 44 1.931 -6.076 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 44 2.796 -5.270 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.943 -6.881 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.207 -7.693 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.677 -7.217 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.448 -4.529 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.121 -4.832 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.276 -3.565 -7.533 1.00 0.00 H new ATOM 711 N LYS A 45 4.037 -7.449 -5.361 1.00 0.00 N ATOM 712 CA LYS A 45 5.045 -8.503 -5.338 1.00 0.00 C ATOM 713 C LYS A 45 4.528 -9.653 -6.179 1.00 0.00 C ATOM 714 O LYS A 45 3.451 -10.160 -5.880 1.00 0.00 O ATOM 715 CB LYS A 45 5.332 -8.952 -3.896 1.00 0.00 C ATOM 716 CG LYS A 45 5.796 -7.742 -3.083 1.00 0.00 C ATOM 717 CD LYS A 45 6.641 -8.124 -1.874 1.00 0.00 C ATOM 718 CE LYS A 45 7.166 -6.806 -1.309 1.00 0.00 C ATOM 719 NZ LYS A 45 8.066 -6.969 -0.151 1.00 0.00 N ATOM 0 H LYS A 45 3.435 -7.437 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 45 5.987 -8.137 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.436 -9.384 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.098 -9.728 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.373 -7.078 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.924 -7.181 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.047 -8.659 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.461 -8.782 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.696 -6.270 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.320 -6.185 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.617 -6.568 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.255 -7.980 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.962 -6.473 -0.335 1.00 0.00 H new ATOM 733 N VAL A 46 5.270 -10.081 -7.189 1.00 0.00 N ATOM 734 CA VAL A 46 4.870 -11.196 -8.038 1.00 0.00 C ATOM 735 C VAL A 46 5.746 -12.399 -7.710 1.00 0.00 C ATOM 736 O VAL A 46 6.969 -12.268 -7.587 1.00 0.00 O ATOM 737 CB VAL A 46 4.913 -10.798 -9.528 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.792 -9.801 -9.844 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.253 -10.193 -9.972 1.00 0.00 C ATOM 0 H VAL A 46 6.166 -9.666 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 46 3.834 -11.472 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 46 4.779 -11.726 -10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.834 -9.529 -10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.827 -10.258 -9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.917 -8.907 -9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.205 -9.939 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.456 -9.293 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.051 -10.917 -9.809 1.00 0.00 H new ATOM 749 N TYR A 47 5.144 -13.589 -7.615 1.00 0.00 N ATOM 750 CA TYR A 47 5.878 -14.837 -7.410 1.00 0.00 C ATOM 751 C TYR A 47 5.216 -15.993 -8.151 1.00 0.00 C ATOM 752 O TYR A 47 4.085 -15.866 -8.622 1.00 0.00 O ATOM 753 CB TYR A 47 6.046 -15.158 -5.924 1.00 0.00 C ATOM 754 CG TYR A 47 4.833 -15.697 -5.195 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.870 -14.802 -4.700 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.692 -17.081 -4.973 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.787 -15.280 -3.952 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.591 -17.574 -4.252 1.00 0.00 C ATOM 759 CZ TYR A 47 2.647 -16.665 -3.725 1.00 0.00 C ATOM 760 OH TYR A 47 1.577 -17.109 -3.014 1.00 0.00 O ATOM 0 H TYR A 47 4.133 -13.712 -7.678 1.00 0.00 H new ATOM 0 HA TYR A 47 6.876 -14.698 -7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.852 -15.885 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.371 -14.250 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.965 -13.744 -4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.433 -17.766 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.060 -14.590 -3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.468 -18.637 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 47 1.137 -17.835 -3.504 1.00 0.00 H new ATOM 770 N CYS A 48 5.946 -17.095 -8.324 1.00 0.00 N ATOM 771 CA CYS A 48 5.410 -18.295 -8.942 1.00 0.00 C ATOM 772 C CYS A 48 6.079 -19.529 -8.326 1.00 0.00 C ATOM 773 O CYS A 48 6.508 -19.480 -7.176 1.00 0.00 O ATOM 774 CB CYS A 48 5.482 -18.178 -10.483 1.00 0.00 C ATOM 775 SG CYS A 48 7.153 -18.441 -11.149 1.00 0.00 S ATOM 0 H CYS A 48 6.922 -17.175 -8.039 1.00 0.00 H new ATOM 0 HA CYS A 48 4.347 -18.416 -8.732 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.803 -18.906 -10.927 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.131 -17.190 -10.782 1.00 0.00 H new ATOM 0 HG CYS A 48 7.879 -17.386 -10.928 1.00 0.00 H new ATOM 781 N ASN A 49 6.201 -20.642 -9.055 1.00 0.00 N ATOM 782 CA ASN A 49 6.910 -21.809 -8.528 1.00 0.00 C ATOM 783 C ASN A 49 8.391 -21.492 -8.329 1.00 0.00 C ATOM 784 O ASN A 49 8.939 -21.792 -7.269 1.00 0.00 O ATOM 785 CB ASN A 49 6.735 -23.019 -9.453 1.00 0.00 C ATOM 786 CG ASN A 49 7.394 -24.277 -8.878 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.596 -24.352 -8.651 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.607 -25.308 -8.639 1.00 0.00 N ATOM 0 H ASN A 49 5.825 -20.759 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 49 6.479 -22.060 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.673 -23.205 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.167 -22.796 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.998 -26.172 -8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.607 -25.241 -8.829 1.00 0.00 H new ATOM 795 N ALA A 50 9.035 -20.859 -9.318 1.00 0.00 N ATOM 796 CA ALA A 50 10.497 -20.827 -9.364 1.00 0.00 C ATOM 797 C ALA A 50 11.102 -19.479 -9.719 1.00 0.00 C ATOM 798 O ALA A 50 12.274 -19.288 -9.434 1.00 0.00 O ATOM 799 CB ALA A 50 11.009 -21.896 -10.332 1.00 0.00 C ATOM 0 H ALA A 50 8.573 -20.370 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 50 10.823 -21.031 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.098 -21.868 -10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.681 -22.879 -9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.613 -21.704 -11.329 1.00 0.00 H new ATOM 805 N GLY A 51 10.353 -18.543 -10.304 1.00 0.00 N ATOM 806 CA GLY A 51 10.841 -17.184 -10.530 1.00 0.00 C ATOM 807 C GLY A 51 10.664 -16.750 -11.967 1.00 0.00 C ATOM 808 O GLY A 51 10.526 -15.569 -12.252 1.00 0.00 O ATOM 0 H GLY A 51 9.400 -18.704 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.309 -16.494 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.896 -17.128 -10.262 1.00 0.00 H new ATOM 812 N ARG A 52 10.641 -17.700 -12.900 1.00 0.00 N ATOM 813 CA ARG A 52 10.730 -17.332 -14.304 1.00 0.00 C ATOM 814 C ARG A 52 9.470 -16.615 -14.808 1.00 0.00 C ATOM 815 O ARG A 52 9.553 -15.639 -15.547 1.00 0.00 O ATOM 816 CB ARG A 52 11.119 -18.576 -15.078 1.00 0.00 C ATOM 817 CG ARG A 52 9.950 -19.493 -15.358 1.00 0.00 C ATOM 818 CD ARG A 52 10.588 -20.662 -16.066 1.00 0.00 C ATOM 819 NE ARG A 52 9.512 -21.293 -16.775 1.00 0.00 N ATOM 820 CZ ARG A 52 9.621 -22.273 -17.651 1.00 0.00 C ATOM 821 NH1 ARG A 52 10.808 -22.827 -17.923 1.00 0.00 N ATOM 822 NH2 ARG A 52 8.468 -22.624 -18.195 1.00 0.00 N ATOM 0 H ARG A 52 10.564 -18.700 -12.715 1.00 0.00 H new ATOM 0 HA ARG A 52 11.504 -16.581 -14.461 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.575 -18.280 -16.023 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.876 -19.124 -14.516 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.452 -19.802 -14.439 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.198 -19.008 -15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.371 -20.332 -16.748 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.051 -21.349 -15.357 1.00 0.00 H new ATOM 0 HE ARG A 52 8.571 -20.950 -16.583 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.647 -22.492 -17.450 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.874 -23.584 -18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.609 -22.146 -17.923 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.437 -23.373 -18.887 1.00 0.00 H new ATOM 836 N GLN A 53 8.299 -17.082 -14.361 1.00 0.00 N ATOM 837 CA GLN A 53 7.020 -16.526 -14.783 1.00 0.00 C ATOM 838 C GLN A 53 6.751 -15.225 -14.023 1.00 0.00 C ATOM 839 O GLN A 53 6.222 -14.283 -14.596 1.00 0.00 O ATOM 840 CB GLN A 53 5.944 -17.612 -14.608 1.00 0.00 C ATOM 841 CG GLN A 53 4.543 -17.249 -15.112 1.00 0.00 C ATOM 842 CD GLN A 53 3.705 -18.504 -15.344 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.160 -19.446 -15.971 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.510 -18.617 -14.792 1.00 0.00 N ATOM 0 H GLN A 53 8.217 -17.854 -13.699 1.00 0.00 H new ATOM 0 HA GLN A 53 7.017 -16.248 -15.837 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.275 -18.512 -15.127 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.875 -17.862 -13.549 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.047 -16.605 -14.386 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.621 -16.683 -16.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.116 -17.838 -14.265 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.981 -19.483 -14.893 1.00 0.00 H new ATOM 853 N SER A 54 7.172 -15.130 -12.759 1.00 0.00 N ATOM 854 CA SER A 54 7.131 -13.885 -12.003 1.00 0.00 C ATOM 855 C SER A 54 8.138 -12.854 -12.535 1.00 0.00 C ATOM 856 O SER A 54 7.899 -11.653 -12.417 1.00 0.00 O ATOM 857 CB SER A 54 7.341 -14.177 -10.514 1.00 0.00 C ATOM 858 OG SER A 54 8.228 -15.260 -10.315 1.00 0.00 O ATOM 0 H SER A 54 7.551 -15.918 -12.234 1.00 0.00 H new ATOM 0 HA SER A 54 6.146 -13.436 -12.131 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.735 -13.288 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.382 -14.402 -10.048 1.00 0.00 H new ATOM 0 HG SER A 54 8.402 -15.369 -9.357 1.00 0.00 H new ATOM 864 N GLY A 55 9.267 -13.285 -13.106 1.00 0.00 N ATOM 865 CA GLY A 55 10.235 -12.388 -13.715 1.00 0.00 C ATOM 866 C GLY A 55 9.563 -11.709 -14.893 1.00 0.00 C ATOM 867 O GLY A 55 9.531 -10.483 -14.968 1.00 0.00 O ATOM 0 H GLY A 55 9.529 -14.269 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.577 -11.648 -12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.114 -12.942 -14.044 1.00 0.00 H new ATOM 871 N GLN A 56 8.920 -12.523 -15.737 1.00 0.00 N ATOM 872 CA GLN A 56 8.131 -12.011 -16.836 1.00 0.00 C ATOM 873 C GLN A 56 7.006 -11.118 -16.328 1.00 0.00 C ATOM 874 O GLN A 56 6.768 -10.063 -16.907 1.00 0.00 O ATOM 875 CB GLN A 56 7.520 -13.164 -17.649 1.00 0.00 C ATOM 876 CG GLN A 56 8.021 -13.507 -19.065 1.00 0.00 C ATOM 877 CD GLN A 56 8.560 -12.468 -20.069 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.985 -11.253 -19.757 1.00 0.00 O flip ATOM 879 NE2 GLN A 56 8.648 -12.804 -21.239 1.00 0.00 N flip ATOM 0 H GLN A 56 8.938 -13.541 -15.670 1.00 0.00 H new ATOM 0 HA GLN A 56 8.796 -11.427 -17.472 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.628 -14.067 -17.048 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.452 -12.962 -17.732 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.814 -14.244 -18.936 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.195 -14.012 -19.565 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.334 -13.730 -21.529 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.036 -12.159 -21.927 1.00 0.00 H new ATOM 888 N ALA A 57 6.312 -11.525 -15.260 1.00 0.00 N ATOM 889 CA ALA A 57 5.231 -10.730 -14.702 1.00 0.00 C ATOM 890 C ALA A 57 5.720 -9.364 -14.235 1.00 0.00 C ATOM 891 O ALA A 57 5.024 -8.377 -14.453 1.00 0.00 O ATOM 892 CB ALA A 57 4.586 -11.465 -13.534 1.00 0.00 C ATOM 0 H ALA A 57 6.486 -12.402 -14.770 1.00 0.00 H new ATOM 0 HA ALA A 57 4.496 -10.577 -15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.778 -10.859 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.186 -12.418 -13.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.332 -11.645 -12.760 1.00 0.00 H new ATOM 898 N LYS A 58 6.907 -9.277 -13.634 1.00 0.00 N ATOM 899 CA LYS A 58 7.417 -7.988 -13.201 1.00 0.00 C ATOM 900 C LYS A 58 7.504 -7.052 -14.405 1.00 0.00 C ATOM 901 O LYS A 58 7.084 -5.904 -14.314 1.00 0.00 O ATOM 902 CB LYS A 58 8.758 -8.146 -12.470 1.00 0.00 C ATOM 903 CG LYS A 58 9.348 -6.754 -12.214 1.00 0.00 C ATOM 904 CD LYS A 58 10.388 -6.719 -11.102 1.00 0.00 C ATOM 905 CE LYS A 58 10.970 -5.302 -11.061 1.00 0.00 C ATOM 906 NZ LYS A 58 12.374 -5.267 -11.527 1.00 0.00 N ATOM 0 H LYS A 58 7.519 -10.070 -13.441 1.00 0.00 H new ATOM 0 HA LYS A 58 6.733 -7.542 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.614 -8.674 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.446 -8.743 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.802 -6.388 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.539 -6.068 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.934 -6.975 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.174 -7.451 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.365 -4.643 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.916 -4.917 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.730 -4.291 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.957 -5.876 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.423 -5.610 -12.508 1.00 0.00 H new ATOM 920 N GLU A 59 8.050 -7.547 -15.511 1.00 0.00 N ATOM 921 CA GLU A 59 8.284 -6.739 -16.703 1.00 0.00 C ATOM 922 C GLU A 59 6.960 -6.312 -17.305 1.00 0.00 C ATOM 923 O GLU A 59 6.763 -5.138 -17.588 1.00 0.00 O ATOM 924 CB GLU A 59 9.089 -7.553 -17.716 1.00 0.00 C ATOM 925 CG GLU A 59 10.429 -7.979 -17.098 1.00 0.00 C ATOM 926 CD GLU A 59 11.618 -7.393 -17.835 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.777 -7.737 -19.026 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.366 -6.651 -17.157 1.00 0.00 O ATOM 0 H GLU A 59 8.343 -8.519 -15.606 1.00 0.00 H new ATOM 0 HA GLU A 59 8.847 -5.846 -16.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.523 -8.433 -18.020 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.265 -6.961 -18.614 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.461 -7.665 -16.055 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.500 -9.067 -17.106 1.00 0.00 H new ATOM 935 N ILE A 60 6.029 -7.260 -17.410 1.00 0.00 N ATOM 936 CA ILE A 60 4.701 -7.039 -17.942 1.00 0.00 C ATOM 937 C ILE A 60 4.014 -5.929 -17.139 1.00 0.00 C ATOM 938 O ILE A 60 3.454 -5.013 -17.736 1.00 0.00 O ATOM 939 CB ILE A 60 3.961 -8.400 -17.937 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.431 -9.241 -19.148 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.434 -8.238 -17.951 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.009 -10.716 -19.093 1.00 0.00 C ATOM 0 H ILE A 60 6.190 -8.224 -17.118 1.00 0.00 H new ATOM 0 HA ILE A 60 4.711 -6.685 -18.973 1.00 0.00 H new ATOM 0 HB ILE A 60 4.210 -8.914 -17.009 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.035 -8.796 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.518 -9.188 -19.213 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.964 -9.221 -17.947 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.119 -7.681 -17.068 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.134 -7.696 -18.848 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.378 -11.233 -19.978 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.427 -11.181 -18.200 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.921 -10.782 -19.061 1.00 0.00 H new ATOM 954 N LEU A 61 4.059 -5.989 -15.805 1.00 0.00 N ATOM 955 CA LEU A 61 3.378 -5.001 -14.979 1.00 0.00 C ATOM 956 C LEU A 61 4.094 -3.655 -15.025 1.00 0.00 C ATOM 957 O LEU A 61 3.418 -2.625 -15.012 1.00 0.00 O ATOM 958 CB LEU A 61 3.225 -5.494 -13.531 1.00 0.00 C ATOM 959 CG LEU A 61 2.263 -6.685 -13.346 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.088 -6.968 -11.847 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.882 -6.446 -13.972 1.00 0.00 C ATOM 0 H LEU A 61 4.558 -6.708 -15.281 1.00 0.00 H new ATOM 0 HA LEU A 61 2.378 -4.862 -15.391 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.208 -5.778 -13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.875 -4.665 -12.916 1.00 0.00 H new ATOM 0 HG LEU A 61 2.709 -7.537 -13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.408 -7.810 -11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.056 -7.209 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.676 -6.087 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.252 -7.320 -13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.419 -5.573 -13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.993 -6.274 -15.043 1.00 0.00 H new ATOM 973 N SER A 62 5.428 -3.642 -15.107 1.00 0.00 N ATOM 974 CA SER A 62 6.166 -2.405 -15.318 1.00 0.00 C ATOM 975 C SER A 62 5.719 -1.769 -16.637 1.00 0.00 C ATOM 976 O SER A 62 5.522 -0.557 -16.680 1.00 0.00 O ATOM 977 CB SER A 62 7.679 -2.659 -15.329 1.00 0.00 C ATOM 978 OG SER A 62 8.159 -3.203 -14.109 1.00 0.00 O ATOM 0 H SER A 62 6.012 -4.474 -15.030 1.00 0.00 H new ATOM 0 HA SER A 62 5.953 -1.723 -14.495 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.922 -3.340 -16.145 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.198 -1.722 -15.532 1.00 0.00 H new ATOM 0 HG SER A 62 7.868 -4.136 -14.030 1.00 0.00 H new ATOM 984 N GLU A 63 5.494 -2.577 -17.678 1.00 0.00 N ATOM 985 CA GLU A 63 5.009 -2.107 -18.966 1.00 0.00 C ATOM 986 C GLU A 63 3.592 -1.550 -18.897 1.00 0.00 C ATOM 987 O GLU A 63 3.269 -0.535 -19.514 1.00 0.00 O ATOM 988 CB GLU A 63 5.115 -3.232 -20.017 1.00 0.00 C ATOM 989 CG GLU A 63 5.945 -2.586 -21.127 1.00 0.00 C ATOM 990 CD GLU A 63 6.247 -3.462 -22.338 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.167 -4.297 -22.229 1.00 0.00 O ATOM 992 OE2 GLU A 63 5.578 -3.259 -23.375 1.00 0.00 O ATOM 0 H GLU A 63 5.647 -3.585 -17.643 1.00 0.00 H new ATOM 0 HA GLU A 63 5.647 -1.276 -19.268 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.603 -4.119 -19.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.134 -3.544 -20.375 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.422 -1.694 -21.471 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.891 -2.255 -20.699 1.00 0.00 H new ATOM 999 N MET A 64 2.750 -2.172 -18.076 1.00 0.00 N ATOM 1000 CA MET A 64 1.422 -1.666 -17.753 1.00 0.00 C ATOM 1001 C MET A 64 1.461 -0.383 -16.902 1.00 0.00 C ATOM 1002 O MET A 64 0.399 0.188 -16.591 1.00 0.00 O ATOM 1003 CB MET A 64 0.628 -2.765 -17.047 1.00 0.00 C ATOM 1004 CG MET A 64 0.346 -3.913 -18.020 1.00 0.00 C ATOM 1005 SD MET A 64 -0.714 -5.240 -17.399 1.00 0.00 S ATOM 1006 CE MET A 64 -2.126 -4.351 -16.687 1.00 0.00 C ATOM 0 H MET A 64 2.975 -3.052 -17.612 1.00 0.00 H new ATOM 0 HA MET A 64 0.931 -1.392 -18.687 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.187 -3.135 -16.188 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.310 -2.361 -16.667 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.114 -3.498 -18.917 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.299 -4.348 -18.323 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.855 -5.068 -16.309 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.782 -3.718 -15.869 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.591 -3.732 -17.454 1.00 0.00 H new ATOM 1016 N GLY A 65 2.657 0.064 -16.519 1.00 0.00 N ATOM 1017 CA GLY A 65 2.877 1.336 -15.864 1.00 0.00 C ATOM 1018 C GLY A 65 2.659 1.253 -14.358 1.00 0.00 C ATOM 1019 O GLY A 65 2.396 2.284 -13.742 1.00 0.00 O ATOM 0 H GLY A 65 3.515 -0.468 -16.663 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.893 1.675 -16.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.203 2.082 -16.286 1.00 0.00 H new ATOM 1023 N TYR A 66 2.674 0.054 -13.764 1.00 0.00 N ATOM 1024 CA TYR A 66 2.742 -0.084 -12.312 1.00 0.00 C ATOM 1025 C TYR A 66 4.104 0.427 -11.854 1.00 0.00 C ATOM 1026 O TYR A 66 5.140 0.000 -12.358 1.00 0.00 O ATOM 1027 CB TYR A 66 2.481 -1.526 -11.863 1.00 0.00 C ATOM 1028 CG TYR A 66 1.009 -1.885 -11.885 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.339 -2.038 -13.114 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.292 -1.987 -10.676 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -1.052 -2.223 -13.144 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.098 -2.182 -10.696 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.775 -2.266 -11.932 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.126 -2.363 -11.963 1.00 0.00 O ATOM 0 H TYR A 66 2.640 -0.831 -14.269 1.00 0.00 H new ATOM 0 HA TYR A 66 1.956 0.510 -11.846 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.028 -2.210 -12.512 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.870 -1.665 -10.854 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.898 -2.013 -14.038 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.813 -1.915 -9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.566 -2.332 -14.088 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.647 -2.267 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.488 -2.171 -11.073 1.00 0.00 H new ATOM 1044 N THR A 67 4.106 1.366 -10.914 1.00 0.00 N ATOM 1045 CA THR A 67 5.281 2.147 -10.555 1.00 0.00 C ATOM 1046 C THR A 67 6.074 1.497 -9.412 1.00 0.00 C ATOM 1047 O THR A 67 7.188 1.937 -9.138 1.00 0.00 O ATOM 1048 CB THR A 67 4.830 3.589 -10.231 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.675 3.601 -9.416 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.434 4.356 -11.496 1.00 0.00 C ATOM 0 H THR A 67 3.277 1.609 -10.372 1.00 0.00 H new ATOM 0 HA THR A 67 5.974 2.179 -11.396 1.00 0.00 H new ATOM 0 HB THR A 67 5.682 4.050 -9.732 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.417 4.528 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.123 5.365 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.287 4.407 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.610 3.842 -11.990 1.00 0.00 H new ATOM 1058 N HIS A 68 5.534 0.448 -8.776 1.00 0.00 N ATOM 1059 CA HIS A 68 6.084 -0.196 -7.583 1.00 0.00 C ATOM 1060 C HIS A 68 6.000 -1.727 -7.703 1.00 0.00 C ATOM 1061 O HIS A 68 5.504 -2.434 -6.836 1.00 0.00 O ATOM 1062 CB HIS A 68 5.373 0.373 -6.339 1.00 0.00 C ATOM 1063 CG HIS A 68 6.262 1.210 -5.469 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.733 0.844 -4.232 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.693 2.485 -5.718 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.426 1.887 -3.742 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.437 2.914 -4.610 1.00 0.00 N ATOM 0 H HIS A 68 4.669 0.011 -9.094 1.00 0.00 H new ATOM 0 HA HIS A 68 7.146 0.026 -7.480 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.523 0.975 -6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.975 -0.453 -5.749 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.585 -0.053 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.495 3.059 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.911 1.898 -2.777 1.00 0.00 H new ATOM 1075 N VAL A 69 6.421 -2.296 -8.820 1.00 0.00 N ATOM 1076 CA VAL A 69 6.431 -3.749 -8.958 1.00 0.00 C ATOM 1077 C VAL A 69 7.671 -4.281 -8.240 1.00 0.00 C ATOM 1078 O VAL A 69 8.731 -3.659 -8.332 1.00 0.00 O ATOM 1079 CB VAL A 69 6.458 -4.119 -10.446 1.00 0.00 C ATOM 1080 CG1 VAL A 69 5.929 -5.539 -10.661 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.587 -3.187 -11.295 1.00 0.00 C ATOM 0 H VAL A 69 6.757 -1.785 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 69 5.537 -4.190 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 69 7.500 -4.031 -10.754 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.957 -5.781 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.551 -6.246 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.902 -5.603 -10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.640 -3.491 -12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.554 -3.243 -10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.947 -2.163 -11.196 1.00 0.00 H new ATOM 1091 N GLU A 70 7.593 -5.472 -7.648 1.00 0.00 N ATOM 1092 CA GLU A 70 8.761 -6.166 -7.126 1.00 0.00 C ATOM 1093 C GLU A 70 8.651 -7.636 -7.528 1.00 0.00 C ATOM 1094 O GLU A 70 7.570 -8.220 -7.494 1.00 0.00 O ATOM 1095 CB GLU A 70 8.843 -5.989 -5.605 1.00 0.00 C ATOM 1096 CG GLU A 70 10.105 -6.658 -5.027 1.00 0.00 C ATOM 1097 CD GLU A 70 11.155 -5.645 -4.583 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.673 -4.981 -5.508 1.00 0.00 O ATOM 1099 OE2 GLU A 70 11.424 -5.591 -3.361 1.00 0.00 O ATOM 0 H GLU A 70 6.718 -5.979 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 70 9.680 -5.752 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.849 -4.927 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.956 -6.419 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.825 -7.281 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.538 -7.319 -5.778 1.00 0.00 H new ATOM 1106 N ASN A 71 9.766 -8.246 -7.933 1.00 0.00 N ATOM 1107 CA ASN A 71 9.839 -9.683 -8.139 1.00 0.00 C ATOM 1108 C ASN A 71 10.262 -10.339 -6.830 1.00 0.00 C ATOM 1109 O ASN A 71 11.315 -9.995 -6.298 1.00 0.00 O ATOM 1110 CB ASN A 71 10.868 -10.007 -9.223 1.00 0.00 C ATOM 1111 CG ASN A 71 10.857 -11.504 -9.473 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.637 -12.257 -8.923 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.908 -11.983 -10.250 1.00 0.00 N ATOM 0 H ASN A 71 10.639 -7.754 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 71 8.865 -10.058 -8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.632 -9.469 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.861 -9.683 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.825 -12.990 -10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.256 -11.347 -10.709 1.00 0.00 H new ATOM 1120 N ALA A 72 9.463 -11.294 -6.345 1.00 0.00 N ATOM 1121 CA ALA A 72 9.726 -12.018 -5.104 1.00 0.00 C ATOM 1122 C ALA A 72 10.258 -13.435 -5.361 1.00 0.00 C ATOM 1123 O ALA A 72 10.431 -14.194 -4.414 1.00 0.00 O ATOM 1124 CB ALA A 72 8.447 -12.059 -4.260 1.00 0.00 C ATOM 0 H ALA A 72 8.605 -11.588 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 72 10.507 -11.487 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.640 -12.599 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.131 -11.042 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.659 -12.566 -4.818 1.00 0.00 H new ATOM 1130 N GLY A 73 10.496 -13.811 -6.617 1.00 0.00 N ATOM 1131 CA GLY A 73 11.117 -15.077 -6.951 1.00 0.00 C ATOM 1132 C GLY A 73 10.056 -16.157 -7.038 1.00 0.00 C ATOM 1133 O GLY A 73 9.038 -15.984 -7.724 1.00 0.00 O ATOM 0 H GLY A 73 10.260 -13.240 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.645 -14.995 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.858 -15.341 -6.196 1.00 0.00 H new ATOM 1137 N GLY A 74 10.298 -17.295 -6.396 1.00 0.00 N ATOM 1138 CA GLY A 74 9.388 -18.417 -6.406 1.00 0.00 C ATOM 1139 C GLY A 74 9.262 -19.018 -5.022 1.00 0.00 C ATOM 1140 O GLY A 74 10.093 -18.805 -4.142 1.00 0.00 O ATOM 0 H GLY A 74 11.144 -17.458 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.408 -18.094 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.744 -19.174 -7.105 1.00 0.00 H new ATOM 1144 N LEU A 75 8.196 -19.781 -4.837 1.00 0.00 N ATOM 1145 CA LEU A 75 7.689 -20.188 -3.541 1.00 0.00 C ATOM 1146 C LEU A 75 8.702 -20.898 -2.646 1.00 0.00 C ATOM 1147 O LEU A 75 8.584 -20.898 -1.422 1.00 0.00 O ATOM 1148 CB LEU A 75 6.495 -21.102 -3.832 1.00 0.00 C ATOM 1149 CG LEU A 75 5.548 -21.320 -2.642 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.394 -20.125 -1.700 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.127 -21.584 -3.139 1.00 0.00 C ATOM 0 H LEU A 75 7.643 -20.145 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 75 7.422 -19.297 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.925 -20.680 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.869 -22.071 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 75 6.007 -22.151 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.706 -20.383 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.365 -19.867 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.001 -19.273 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.466 -21.737 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.780 -20.729 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.121 -22.475 -3.767 1.00 0.00 H new ATOM 1163 N LYS A 76 9.673 -21.537 -3.271 1.00 0.00 N ATOM 1164 CA LYS A 76 10.708 -22.304 -2.607 1.00 0.00 C ATOM 1165 C LYS A 76 11.768 -21.459 -1.965 1.00 0.00 C ATOM 1166 O LYS A 76 12.430 -21.946 -1.056 1.00 0.00 O ATOM 1167 CB LYS A 76 11.498 -23.041 -3.646 1.00 0.00 C ATOM 1168 CG LYS A 76 10.583 -23.762 -4.598 1.00 0.00 C ATOM 1169 CD LYS A 76 11.565 -24.350 -5.572 1.00 0.00 C ATOM 1170 CE LYS A 76 11.234 -25.805 -5.592 1.00 0.00 C ATOM 1171 NZ LYS A 76 12.010 -26.307 -6.712 1.00 0.00 N ATOM 0 H LYS A 76 9.765 -21.536 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 76 10.181 -22.914 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.126 -22.341 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.165 -23.755 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.993 -24.529 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.880 -23.085 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.460 -23.904 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.593 -24.180 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.512 -26.294 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.166 -25.973 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.849 -27.329 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.717 -25.820 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.021 -26.131 -6.541 1.00 0.00 H new ATOM 1185 N ASP A 77 12.002 -20.291 -2.544 1.00 0.00 N ATOM 1186 CA ASP A 77 13.059 -19.393 -2.124 1.00 0.00 C ATOM 1187 C ASP A 77 12.452 -18.355 -1.186 1.00 0.00 C ATOM 1188 O ASP A 77 13.085 -17.893 -0.244 1.00 0.00 O ATOM 1189 CB ASP A 77 13.684 -18.738 -3.356 1.00 0.00 C ATOM 1190 CG ASP A 77 14.812 -17.797 -2.933 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.870 -18.333 -2.538 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.630 -16.569 -3.075 1.00 0.00 O ATOM 0 H ASP A 77 11.454 -19.939 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 77 13.847 -19.930 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.071 -19.504 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.925 -18.184 -3.908 1.00 0.00 H new ATOM 1197 N ILE A 78 11.158 -18.061 -1.367 1.00 0.00 N ATOM 1198 CA ILE A 78 10.407 -17.227 -0.457 1.00 0.00 C ATOM 1199 C ILE A 78 10.335 -17.987 0.864 1.00 0.00 C ATOM 1200 O ILE A 78 9.772 -19.088 0.931 1.00 0.00 O ATOM 1201 CB ILE A 78 8.998 -16.946 -1.012 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.085 -16.143 -2.320 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.146 -16.173 0.013 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.752 -16.074 -3.062 1.00 0.00 C ATOM 0 H ILE A 78 10.612 -18.403 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 78 10.887 -16.258 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 78 8.521 -17.906 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.425 -15.131 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.834 -16.596 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.156 -15.987 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.051 -16.762 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.627 -15.222 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.875 -15.495 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.422 -17.082 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.006 -15.595 -2.427 1.00 0.00 H new ATOM 1216 N ALA A 79 10.783 -17.343 1.935 1.00 0.00 N ATOM 1217 CA ALA A 79 10.817 -17.925 3.262 1.00 0.00 C ATOM 1218 C ALA A 79 9.811 -17.202 4.162 1.00 0.00 C ATOM 1219 O ALA A 79 10.108 -16.822 5.291 1.00 0.00 O ATOM 1220 CB ALA A 79 12.266 -17.910 3.744 1.00 0.00 C ATOM 0 H ALA A 79 11.137 -16.387 1.900 1.00 0.00 H new ATOM 0 HA ALA A 79 10.500 -18.968 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.322 -18.343 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.883 -18.493 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.629 -16.883 3.773 1.00 0.00 H new ATOM 1226 N MET A 80 8.618 -16.971 3.613 1.00 0.00 N ATOM 1227 CA MET A 80 7.475 -16.405 4.322 1.00 0.00 C ATOM 1228 C MET A 80 6.577 -17.556 4.777 1.00 0.00 C ATOM 1229 O MET A 80 6.649 -18.636 4.181 1.00 0.00 O ATOM 1230 CB MET A 80 6.695 -15.468 3.384 1.00 0.00 C ATOM 1231 CG MET A 80 7.516 -14.216 3.035 1.00 0.00 C ATOM 1232 SD MET A 80 7.237 -12.623 3.882 1.00 0.00 S ATOM 1233 CE MET A 80 5.438 -12.412 4.052 1.00 0.00 C ATOM 0 H MET A 80 8.417 -17.179 2.635 1.00 0.00 H new ATOM 0 HA MET A 80 7.811 -15.830 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.434 -16.001 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.760 -15.171 3.858 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.565 -14.474 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.380 -14.035 1.969 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.222 -11.404 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.961 -12.566 3.084 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.052 -13.139 4.767 1.00 0.00 H new ATOM 1243 N PRO A 81 5.717 -17.337 5.792 1.00 0.00 N ATOM 1244 CA PRO A 81 4.707 -18.298 6.203 1.00 0.00 C ATOM 1245 C PRO A 81 3.828 -18.727 5.031 1.00 0.00 C ATOM 1246 O PRO A 81 3.572 -17.957 4.096 1.00 0.00 O ATOM 1247 CB PRO A 81 3.861 -17.629 7.288 1.00 0.00 C ATOM 1248 CG PRO A 81 4.609 -16.362 7.690 1.00 0.00 C ATOM 1249 CD PRO A 81 5.658 -16.132 6.605 1.00 0.00 C ATOM 0 HA PRO A 81 5.186 -19.201 6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.865 -17.391 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.730 -18.292 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.929 -15.513 7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.077 -16.479 8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.394 -15.269 5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.630 -15.922 7.050 1.00 0.00 H new ATOM 1257 N LYS A 82 3.330 -19.960 5.106 1.00 0.00 N ATOM 1258 CA LYS A 82 2.683 -20.630 3.992 1.00 0.00 C ATOM 1259 C LYS A 82 1.362 -21.184 4.460 1.00 0.00 C ATOM 1260 O LYS A 82 1.149 -21.385 5.654 1.00 0.00 O ATOM 1261 CB LYS A 82 3.567 -21.775 3.470 1.00 0.00 C ATOM 1262 CG LYS A 82 4.993 -21.301 3.148 1.00 0.00 C ATOM 1263 CD LYS A 82 5.309 -21.430 1.676 1.00 0.00 C ATOM 1264 CE LYS A 82 6.670 -20.817 1.332 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.689 -21.854 1.077 1.00 0.00 N ATOM 0 H LYS A 82 3.368 -20.524 5.955 1.00 0.00 H new ATOM 0 HA LYS A 82 2.525 -19.917 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.609 -22.569 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.116 -22.202 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.108 -20.261 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.709 -21.885 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.302 -22.483 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.531 -20.938 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.570 -20.181 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.999 -20.178 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.391 -21.846 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.232 -22.787 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.163 -21.660 0.172 1.00 0.00 H new ATOM 1279 N VAL A 83 0.520 -21.489 3.500 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.711 -22.222 3.664 1.00 0.00 C ATOM 1281 C VAL A 83 -0.628 -23.291 2.604 1.00 0.00 C ATOM 1282 O VAL A 83 0.058 -23.101 1.594 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.909 -21.290 3.430 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.243 -21.998 3.680 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -1.849 -20.092 4.378 1.00 0.00 C ATOM 0 H VAL A 83 0.686 -21.217 2.531 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.843 -22.640 4.662 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.851 -20.972 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.063 -21.302 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.336 -22.848 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.281 -22.349 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.706 -19.442 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.870 -20.443 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.928 -19.535 4.203 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.286 -24.413 2.841 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.200 -25.534 1.946 1.00 0.00 C ATOM 1297 C LYS A 84 -2.542 -26.191 1.781 1.00 0.00 C ATOM 1298 O LYS A 84 -3.449 -25.954 2.578 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.284 -26.573 2.531 1.00 0.00 C ATOM 1300 CG LYS A 84 1.145 -26.115 2.815 1.00 0.00 C ATOM 1301 CD LYS A 84 1.634 -27.338 3.592 1.00 0.00 C ATOM 1302 CE LYS A 84 3.115 -27.566 3.805 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.939 -27.418 2.578 1.00 0.00 N ATOM 0 H LYS A 84 -1.886 -24.563 3.652 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.835 -25.164 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.722 -26.933 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.245 -27.421 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.719 -25.936 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.185 -25.198 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.168 -27.302 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.241 -28.220 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.474 -26.863 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.262 -28.568 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.828 -27.946 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.416 -27.792 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.151 -26.412 2.422 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.563 -26.998 0.734 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.736 -27.619 0.186 1.00 0.00 C ATOM 1319 C GLY A 85 -4.393 -28.590 1.136 1.00 0.00 C ATOM 1320 O GLY A 85 -3.627 -29.407 1.693 1.00 0.00 O ATOM 1321 OXT GLY A 85 -5.636 -28.529 1.253 1.00 0.00 O ATOM 0 H GLY A 85 -1.715 -27.244 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.454 -26.846 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.467 -28.143 -0.731 1.00 0.00 H new TER 1325 GLY A 85